N,N-dimethyl-5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine

C21H31N5O2S2 — CID 25012846

IUPACN,N-dimethyl-5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine
SMILESCN(C)c1nsc(N2CCC(C3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)CC2)n1
InChIInChI=1S/C21H31N5O2S2/c1-24(2)20-22-21(29-23-20)26-14-10-17(11-15-26)16-8-12-25(13-9-16)18-4-6-19(7-5-18)30(3,27)28/h4-7,16-17H,8-15H2,1-3H3
InChIKeyBJZRTPFZLYIATN-UHFFFAOYSA-N
MW449.65 g/mol
LogP3.14
Rot. Bonds5

About N,N-dimethyl-5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine

N,N-dimethyl-5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine (PubChem CID 25012846) has the molecular formula C21H31N5O2S2 and a molecular weight of 449.65 g/mol. Its IUPAC name is N,N-dimethyl-5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine
PubChem CID25012846
Molecular FormulaC21H31N5O2S2
Molecular Weight449.65 g/mol
Exact Mass449.19
IUPAC NameN,N-dimethyl-5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine
SMILESCN(C)c1nsc(N2CCC(C3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)CC2)n1
InChIInChI=1S/C21H31N5O2S2/c1-24(2)20-22-21(29-23-20)26-14-10-17(11-15-26)16-8-12-25(13-9-16)18-4-6-19(7-5-18)30(3,27)28/h4-7,16-17H,8-15H2,1-3H3
InChIKeyBJZRTPFZLYIATN-UHFFFAOYSA-N
XLogP3.14
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.65
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(R)-2-(2-isopropyl-4-(3-(methylsulfonyl)phenyl)piperazin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 137554444
3-Chloro-5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazole
CID 25014207
4,5-Dimethyl-2-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole
CID 59178828
5-[4-[1-(4-Methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazole
CID 59178836
4-[4-[1-[3-(Dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]benzenesulfonamide
CID 59178844
5-[4-[1-(3-chloro-4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine
CID 59178852
5-[4-[1-(5-chloro-2-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine
CID 59178876
N,N-dimethyl-5-[4-[1-[4-(methylsulfonylmethyl)phenyl]piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine
CID 59178893
3-Methyl-5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazole
CID 59178903
4-Bromo-2-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole
CID 59178912
N,N-dimethyl-5-[4-[1-(4-propan-2-ylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine
CID 59178918
5-[4-[1-(3-bromo-4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine
CID 59178956

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine?
The IUPAC name of N,N-dimethyl-5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine (CID 25012846) is N,N-dimethyl-5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine is CN(C)c1nsc(N2CCC(C3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)CC2)n1.
What is the InChIKey of N,N-dimethyl-5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine?
The InChIKey is BJZRTPFZLYIATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2S2/c1-24(2)20-22-21(29-23-20)26-14-10-17(11-15-26)16-8-12-25(13-9-16)18-4-6-19(7-5-18)30(3,27)28/h4-7,16-17H,8-15H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine?
N,N-dimethyl-5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine has a molecular weight of 449.65 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 25012846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).